Geometry & MOs

Info

ID:	407437
PubChem CID:	135080099
Reduced:	IN2O5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-34.03
Dipole, Da:	6.51
IP(EA), eV:	-9.47(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-acetamido-3-(cyclohexen-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])N=C(C2=CC=C(C=C2)I)C(=O)OC

DOS

IR

Vibrations